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Posts tagged #FBLD

Principal Beamline Scientist - XChem (11716)

Opportunity for beamline scientist (XChem) at Diamond Light Source (Harwell Oxfordshire UK) ref: 11716 | closing: 09-Nov-2025 #MX #StructBiol #FBD #FBLD #FBDD #chemsky 🧪
vacancies.diamond.ac.uk/vacancy/prin...

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Electrophilic fragment screening using native mass spectrometry to identify covalent probes for surface cysteines Covalent chemical probes form a covalent bond with a target protein of interest to elicit an effect and methods to identify and characterise them are needed. We developed a native mass spectrometry (n...

Klose et al (2025) #Electrophilic #fragment screening using native mass spectrometry to identify covalent probes for surface cysteines. Aust J Chem 78 CH25081 #FBD #FBLD #FBDD #MS #ChemBiol #MedChem #cheminformatics #OpenAccess #chemsky 🧪
doi.org/10.1071/CH25...

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Discovery of RNA-binding fragments using biolayer interferometry Structured RNAs are increasingly explored as novel pharmacological targets for a range of diseases. Therefore, evaluating methods for RNA-focused hit discovery is crucial. Biolayer Interferometry (BLI...

Interested in #FBLD or #FBDD for #RNA targets? Then read our newest paper on the discovery of RNA-binding fragments using biolayer interferometry (BLI). doi.org/10.1039/D5MD... #MedChem

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The ring system presents an unusual pharmacophore and this is a most excellent molecule with which to conclude the week #SynChem #BB #MedChem #DrugDesign #DrugDiscovery #FBDD #FBLD #cheminformatics #chemsky 🧪
enaminestore.com/catalog/EN30...

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How can we house our crystallographic data? Three years ago we highlighted a growing debate about how and where to house crystallographic fragment data. With the recent surge in high-...

Practical Fragments post on Erlanson et al (2025 #OpenAccess) Where and how to house big data on small fragments. Nat Commun 16:4179 DOI: 10.1038/s41467-025-59233-z #FBD #FBDD #FBLD #StructBiol #MedChem #cheminformatics #DataScience #chemsky 🧪
practicalfragments.blogspot.com/2025/07/how-...

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Advisor - Fragment-based Computational Design in Bracknell, United Kingdom | Research & Development at Lilly Apply for Advisor - Fragment-based Computational Design job with Lilly in Bracknell, United Kingdom. Research & Development at Lilly

Opportunity in fragment-based computational design at Lilly (Bracknell UK) ref: R-86733 #FBD #FBLD #FBDD #cheminformatics #CompChem #UKChemJobs #ChemJobs #chemsky 🧪
careers.lilly.com/us/en/job/R-...

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Identifying ligand-binding pockets in RNA, computationally and experimentally Most drugs bind to proteins, but RNA provides many interesting targets. Unfortunately, finding drug-like small molecules that bind to RNA is...

Identifying ligand-binding pockets in #RNA, computationally and experimentally #FBLD #FBDD #CompChem #cheminformatics #chemsky 🧪
practicalfragments.blogspot.com/2025/06/iden...

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Advisor - Fragment-based Computational Design in Bracknell, United Kingdom | Research & Development at Lilly Apply for Advisor - Fragment-based Computational Design job with Lilly in Bracknell, United Kingdom. Research & Development at Lilly

Opportunity in fragment-based design at Lilly (job available in 4 locations | UK: Bracknell | USA: Boston MA, Louisville CO, San Francisco CA) ref: R-86733 #FBD #FBDD #FBLD #CADD #CompChem #cheminformatics #ChemJobs #UKChemJobs #chemsky 🧪
careers.lilly.com/us/en/job/R-...

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Reviewing the reviewers I recently published The Nature of Ligand Efficiency (NoLE) as a ChemRxiv preprint and this was featured (for all the right reasons) in ...

The Nature of #LigandEfficiency article on which my talk was based was originally submitted to J Med Chem and I reviewed the reviewers of the initial submission pour encourager les autres #LE #FBD #FBDD #FBLD #DrugDiscovery #DrugDesign #metric #chemsky 🧪
fbdd-lit.blogspot.com/2019/01/revi...

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Reviewing the reviewers I recently published The Nature of Ligand Efficiency (NoLE) as a ChemRxiv preprint and this was featured (for all the right reasons) in ...

The Nature of Ligand Efficiency was originally submitted to JMC but the study proved a bit too spicy for two of the reviewers and, for the benefit of the journal’s editors, I reviewed the reviewers #LE #metric #MedChem #cheminformatics #FBDD #FBLD #chemsky 🧪
fbdd-lit.blogspot.com/2019/01/revi...

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Integrating fragment-based screening with targeted protein degradation and genetic rescue to explore eIF4E function - Nature Communications A structure-guided fragment screen identified a compound, which interacts with a ligand-binding site of unknown function in eukaryotic initiation factor 4E (eIF4E). X-ray crystallography was used...

Sharp et al (2024) Integrating fragment-based screening with targeted protein degradation and genetic rescue to explore eIF4E function. Nat Commun 15 10037 #TPD #FBDD #FBLD #MedChem #DrugDesign #DrugDiscovery #OpenAccess #chemsky 🧪
doi.org/10.1038/s414...

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The nature of ligand efficiency - Journal of Cheminformatics Ligand efficiency is a widely used design parameter in drug discovery. It is calculated by scaling affinity by molecular size and has a nontrivial dependency on the concentration unit used to express ...

While widely used in #DrugDiscovery #LE can’t accurately be described as a #metric because perception of efficiency varies with the arbitrary unit used to express affinity or potency (there is no ‘right’ unit) #cheminformatics #MedChem #DrugDesign #FBDD #FBLD #chemsky 🧪
doi.org/10.1186/s133...

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Fishing for pearls more efficiently with a new NMR method NMR is the most venerable approach for finding fragments, and ligand-detected NMR is still among the more popular methods. But the amount o...

PEARLScreen (Perfect Echo for Advanced Relaxation-based Ligand Screen): A new ligand-detected #NMR method for detecting #fragment hits #FBDD #FBLD #DrugDiscovery #DrugDesign #MedChem #AnalChem #cheminformatics #chemsky 🧪
practicalfragments.blogspot.com/2025/03/fish...

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An Integrated Approach to Fragment-Based Lead Generation:Philosophy, Strategy and Case Studies from AstraZenecas Drug Discovery Programmes Fragment-based lead generation (FBLG) has recently emerged as an alternative to traditional high throughput screening (HTS) to identify initial chemistry starting points for drug discovery programs. I...

My friend Jeff Albert recently passed away and this is a good way to remember him #FBDD #FBLD #MedChem #cheminformatics
An Integrated Approach to Fragment-Based Lead Generation:Philosophy, Strategy and Case Studies from AstraZeneca's Drug Discovery Programmes #chemsky 🧪
doi.org/10.2174/1568...

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HB Donor Fragment Selection Themes [This post was updated on 11-Dec-2024 to reflect the publication of the 'HBDs in drug design' preprint as the K2022 article] In this post ...

Some thoughts on hydrogen bond donors in selection of fragments for screening #FBDD #FBLD #DrugDesign #DrugDiscovery #MedChem #cheminformatics #chemsky 🧪
fbdd-lit.blogspot.com/2022/07/hb-d...

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A most excellent molecule with which to conclude the week (great for #SynChem and I'd also include this #oxetane in a fragment library) #MedChem #DrugDiscovery #DrugDesign #FBDD #FBLD #chemsky 🧪
new.enaminestore.com/catalog/EN30...

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Accelerating Drug Discovery With High‐Throughput Crystallographic Fragment Screening and Structural Enablement Crystallographic fragment screening has become highly efficient, overcoming previous challenges of low throughput and time consumption, due to advances in synchrotron technology and the establishment...

Fearon et al (2024) Accelerating #DrugDiscovery With High-Throughput #Crystallographic #Fragment Screening and Structural Enablement. Appl Res e202400192 #FBLD #FBDD #DrugDesign #MedChem #StructBiol #OpenAccess #chemsky 🧪
doi.org/10.1002/appl...

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Senior Scientist Protein and Structural Chemistry, London Discovery job in London, London, United Kingdom | Research & Development jobs at MSD Apply for Senior Scientist Protein and Structural Chemistry, London Discovery job with MSD in London, London, United Kingdom. Browse and apply for the Research & Development jobs at MSD

Opportunity in protein & structural chemistry at MSD (London UK) ref: R312134 | closing: 06-Oct-2024 #StructBiol #biophys #FBDD #FBLD #UKChemJobs #ChemJobs #ScienceJobs #chemsky 🧪
jobs.msd.com/gb/en/job/R3...

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I’m new to Bluesky but keen to catch up with any LibDem or like minded folks.

How about LibDem follow back #FBLD ?

If you can repost that would be great 😊🔶

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Probing Protein–Ligand Methyl−π Interaction Geometries through Chemical Shift Measurements of Selectively Labeled Methyl Groups Fragment-based drug design is heavily dependent on the optimization of initial low-affinity binders. Herein we introduce an approach that uses selective labeling of methyl groups in leucine and isoleu...

Beier et al (2024) Probing Protein–Ligand Methyl−π Interaction Geometries through Chemical Shift Measurements of Selectively Labeled Methyl Groups. J Med Chem ASAP #NMR #MedChem #FBDD #FBLD #DrugDesign #DrugDiscovery #OpenAccess #chemsky 🧪
doi.org/10.1021/acs....

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Design, quality and validation of the EU-OPENSCREEN fragment library poised to a high-throughput screening collection The EU-OPENSCREEN (EU-OS) European Research Infrastructure Consortium (ERIC) is a multinational, not-for-profit initiative that integrates high-capacity screening platforms and chemistry groups across...

Design, quality and validation of the EU-OPENSCREEN #fragment library poised to a high-throughput screening collection #FBLD #FBDD #MedChem #cheminformatics #DrugDiscovery #OpenAccess #chemsky 🧪
doi.org/10.1039/D3MD...

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